Geometry & MOs

Info

ID:	285861
PubChem CID:	104134056
Reduced:	OCl2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	323.059217
ΔH_f, kcal/mol:	-1.43
Dipole, Da:	1.72
IP(EA), eV:	-9.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-(2-chloropyridin-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)NC2=C(N=CC=C2)Cl)Cl

DOS

IR

Vibrations